2-amino-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
Formula:C25H21N3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C25H21N3O2 |
| Smiles | Nc(cccc1)c1C(N/N=C\c(cc1)ccc1OCc1cccc2ccccc12)=O |
| InChI | InChI=1S/C25H21N3O2/c26-24-11-4-3-10-23(24)25(29)28-27-16-18-12-14-21(15-13-18)30-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-16H,17,26H2,(H,28,29) |
| InChIK | OUXCSYRENAKXFW-UHFFFAOYSA-N |
| TotalMolweight | 395.461 |
| Molweight | 395.461 |
| MonoisotopicMass | 395.163377 |
| CLogP | 5.0668 |
| CLogS | -6.744 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 313.63 |
| Relative PSA | 0.19539 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 3.9769 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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